4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide

C12H20N2O3S — CID 113495499

IUPAC4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-10(15)8-14-18(16,17)11-5-6-12(13)9(2)7-11/h5-7,10,14-15H,3-4,8,13H2,1-2H3
InChIKeyCFFNDJZKGTVZBY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.02
Rot. Bonds6

About 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide

4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide (PubChem CID 113495499) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
PubChem CID113495499
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-10(15)8-14-18(16,17)11-5-6-12(13)9(2)7-11/h5-7,10,14-15H,3-4,8,13H2,1-2H3
InChIKeyCFFNDJZKGTVZBY-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
2,5-dibromo-N-(2-hydroxypentyl)-4-methylbenzenesulfonamide
CID 115754515
2-methyl-4-pentan-2-ylsulfonylaniline
CID 107889539
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide (CID 113495499) is 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide is CCCC(O)CNS(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide?
The InChIKey is CFFNDJZKGTVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-4-10(15)8-14-18(16,17)11-5-6-12(13)9(2)7-11/h5-7,10,14-15H,3-4,8,13H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide?
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 113495499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).